2-tert-butylsulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-tert-butylsulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-tert-butylsulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-(tert-butylthio)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-tert-butylsulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-(tert-butylthio)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C12H19NOS MolecularWeight: 225.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC(C)(C)C

InChI

InChI=1S/C12H19NOS/c1-8-6-10(9(2)13-8)11(14)7-15-12(3,4)5/h6,13H,7H2,1-5H3